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15840-87-6 | [1,1'-Bicyclohexyl]-3,3'-dione, 1,1'-dimethyl-4,4'-bis(1-methylethyl)-
CAS No: 15840-87-6 Catalog No: AG001Q6D MDL No:
Product Description
Catalog Number:
AG001Q6D
Chemical Name:
[1,1'-Bicyclohexyl]-3,3'-dione, 1,1'-dimethyl-4,4'-bis(1-methylethyl)-
CAS Number:
15840-87-6
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
IUPAC Name:
5-methyl-5-(1-methyl-3-oxo-4-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C20H34O2/c1-13(2)15-7-9-19(5,11-17(15)21)20(6)10-8-16(14(3)4)18(22)12-20/h13-16H,7-12H2,1-6H3
InChI Key:
VATPGPZPTPBTMR-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1=O)(C)C1(C)CCC(C(=O)C1)C(C)C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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